2-cyano-N-(2-hydroxy-2,5-dimethylhexyl)benzamide

C16H22N2O2 — CID 111825762

IUPAC2-cyano-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
SMILESCC(C)CCC(C)(O)CNC(=O)c1ccccc1C#N
InChIInChI=1S/C16H22N2O2/c1-12(2)8-9-16(3,20)11-18-15(19)14-7-5-4-6-13(14)10-17/h4-7,12,20H,8-9,11H2,1-3H3,(H,18,19)
InChIKeyVEJOKDLXHNVSGJ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.48
Rot. Bonds6

About 2-cyano-N-(2-hydroxy-2,5-dimethylhexyl)benzamide

2-cyano-N-(2-hydroxy-2,5-dimethylhexyl)benzamide (PubChem CID 111825762) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-cyano-N-(2-hydroxy-2,5-dimethylhexyl)benzamide.

Molecular Properties

Compound Name2-cyano-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
PubChem CID111825762
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-cyano-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
SMILESCC(C)CCC(C)(O)CNC(=O)c1ccccc1C#N
InChIInChI=1S/C16H22N2O2/c1-12(2)8-9-16(3,20)11-18-15(19)14-7-5-4-6-13(14)10-17/h4-7,12,20H,8-9,11H2,1-3H3,(H,18,19)
InChIKeyVEJOKDLXHNVSGJ-UHFFFAOYSA-N
XLogP2.48
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyanophenyl)sulfanyl-N-(2,2-dimethylpropyl)benzamide
CID 17139487
N-(2-hydroxy-2,5-dimethylhexyl)pyridine-2-carboxamide
CID 111485413
3-hydroxy-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 110025600
2-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
CID 111436134
N-(2-hydroxy-2,5-dimethylhexyl)-4-oxo-1H-quinoline-3-carboxamide
CID 111485393
N-(2-hydroxy-2,5-dimethylhexyl)thiophene-3-carboxamide
CID 111485327
N-(2-hydroxy-2,5-dimethylhexyl)-1-oxidopyridin-1-ium-3-carboxamide
CID 111485416
1-[(4-cyanophenyl)methyl]-3-(2-hydroxy-2,5-dimethylhexyl)urea
CID 111454376
3-(dimethylamino)-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 111485472
1-benzyl-3-(2-hydroxy-2,5-dimethylhexyl)urea
CID 111450167
2-(cyanomethylsulfanyl)-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66178952
2-cyano-N-[6-[(2-cyanobenzoyl)amino]hexyl]benzamide
CID 19777006

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-hydroxy-2,5-dimethylhexyl)benzamide?
The IUPAC name of 2-cyano-N-(2-hydroxy-2,5-dimethylhexyl)benzamide (CID 111825762) is 2-cyano-N-(2-hydroxy-2,5-dimethylhexyl)benzamide.
What is the SMILES notation for 2-cyano-N-(2-hydroxy-2,5-dimethylhexyl)benzamide?
The canonical SMILES for 2-cyano-N-(2-hydroxy-2,5-dimethylhexyl)benzamide is CC(C)CCC(C)(O)CNC(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-(2-hydroxy-2,5-dimethylhexyl)benzamide?
The InChIKey is VEJOKDLXHNVSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(2)8-9-16(3,20)11-18-15(19)14-7-5-4-6-13(14)10-17/h4-7,12,20H,8-9,11H2,1-3H3,(H,18,19).
What are the key properties of 2-cyano-N-(2-hydroxy-2,5-dimethylhexyl)benzamide?
2-cyano-N-(2-hydroxy-2,5-dimethylhexyl)benzamide has a molecular weight of 274.36 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-hydroxy-2,5-dimethylhexyl)benzamide is sourced from PubChem (CID 111825762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).